Phase-3 Local Term Closure and the Copper Bridge: Supplementary Numerical Certificates

This archive contains the supplementary numerical certificate files for the manuscript “Phase-3 Local Term Closure and the Copper Bridge: From Atomic Shell Geometry to Nonlocal Response.” The supplementary notebook collects and verifies the numerical closure chain used in the paper. It records the strict local Phase-3 closure of chromium, the best strict one-center copper residual, and the resulting Phase-4 copper bridge threshold. The certificate verifies: Pi_Cr_strict = -4.012884 eV, Pi_Cu_1c = +0.198205 eV, and the copper bridge condition Omega_nl_Cu > 0.198205 eV. The included CSV files summarize the main closure certificate, guardrail logic, phase status, bridge thresholds, and reader checklist. The notebook does not fit closure energies to external spectroscopic data. External atomic data are used only for standard configurations, term labels, and unit conversion in the accompanying manuscript. This archive is intended as a compact reproducibility supplement. The larger computational notebooks used to generate the intermediate radial, selected-CI, screening, and guardrail calculations are treated as the computational archive.

Authors

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-04-25
DOI
https://doi.org/10.5281/zenodo.19763843
Primary Topic
X-ray Spectroscopy and Fluorescence Analysis
Type
article
Field-Weighted Citation Impact
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article

Phase-3 Local Term Closure and the Copper Bridge: Supplementary Numerical Certificates

Luka Gluvić
Zenodo (CERN European Organization for Nuclear Research)
X-ray Spectroscopy and Fluorescence Analysis
article

Phase-3 Local Term Closure and the Copper Bridge: Supplementary Numerical Certificates

Luka Gluvić
article en

Abstract

This archive contains the supplementary numerical certificate files for the manuscript “Phase-3 Local Term Closure and the Copper Bridge: From Atomic Shell Geometry to Nonlocal Response.” The supplementary notebook collects and verifies the numerical closure chain used in the paper. It records the strict local Phase-3 closure of chromium, the best strict one-center copper residual, and the resulting Phase-4 copper bridge threshold. The certificate verifies: Pi_Cr_strict = -4.012884 eV, Pi_Cu_1c = +0.198205 eV, and the copper bridge condition Omega_nl_Cu > 0.198205 eV. The included CSV files summarize the main closure certificate, guardrail logic, phase status, bridge thresholds, and reader checklist. The notebook does not fit closure energies to external spectroscopic data. External atomic data are used only for standard configurations, term labels, and unit conversion in the accompanying manuscript. This archive is intended as a compact reproducibility supplement. The larger computational notebooks used to generate the intermediate radial, selected-CI, screening, and guardrail calculations are treated as the computational archive.

Zenodo (CERN European Organization for Nuclear Research)
Openalex Percentile: Top 5%
X-ray Spectroscopy and Fluorescence Analysis
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